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Home > Indoles and Oxindole > 827016-68-2
827016-68-2 | 1H-Indole, 2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-3-methyl-
CAS No: 827016-68-2 Catalog No: AG005B0S MDL No:
Product Description
Catalog Number:
AG005B0S
Chemical Name:
1H-Indole, 2-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-3-methyl-
CAS Number:
827016-68-2
Molecular Formula:
C23H28N2
Molecular Weight:
332.4818
IUPAC Name:
2-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
InChI:
InChI=1S/C23H28N2/c1-16-7-6-8-17(2)23(16)19-11-13-25(14-12-19)15-22-18(3)20-9-4-5-10-21(20)24-22/h4-10,19,24H,11-15H2,1-3H3
InChI Key:
DAOXHPDXLGNGLI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C1CCN(CC1)Cc1[nH]c2c(c1C)cccc2)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.491g/mol
Monoisotopic Mass:
332.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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